Update script names

michellab · Jun 8, 2024 · aa105ca · aa105ca
1 parent 4848f43
commit aa105ca
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Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/simulations/scripts/run_non_adaptive_200ps.py b/simulations/scripts/run_non_adaptive_200ps.py
@@ -6,10 +6,10 @@ def main() -> None:
 
     calc = a3.Calculation()
     calc.setup()
-    calc.run(adaptive=False, runtime=30)
+    calc.run(adaptive=False, runtime=0.2)
     calc.wait()
     calc.set_attr_values("_equilibrated", True)
-    calc.set_attr_values("_equil_time", 10)
+    calc.set_attr_values("_equil_time", 0)
     calc.analyse()
     calc.analyse_convergence()
     results_df = calc.get_results_df()

diff --git a/simulations/scripts/run_non_adaptive_30ns.py b/simulations/scripts/run_non_adaptive_30ns.py
@@ -6,10 +6,10 @@ def main() -> None:
 
     calc = a3.Calculation()
     calc.setup()
-    calc.run(adaptive=False, runtime=0.2)
+    calc.run(adaptive=False, runtime=30)
     calc.wait()
     calc.set_attr_values("_equilibrated", True)
-    calc.set_attr_values("_equil_time", 0)
+    calc.set_attr_values("_equil_time", 10)
     calc.analyse()
     calc.analyse_convergence()
     results_df = calc.get_results_df()